ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate
TL;DR: ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate (CAS 219813-90-8) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate
Also Known As: ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate, (S)-Ethyl 3-amino-3-(p-tolyl)propanoate, ZERO/001529, -3-Amino-3- propionicacidethylester, J1.687.338A
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 219813-90-8 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C1=CC=C(C=C1)C)N |
| InChIKey | JOQNRQTYBXMXQY-NSHDSACASA-N |
Product Overview
ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate (CAS 219813-90-8), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate.
Chemical Property Profile of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate
Property Insights of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate?
The CAS number of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate is 219813-90-8.
What is the molecular formula of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate?
The molecular formula of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate is C12H17NO2.
What is the molecular weight of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate?
The molecular weight of ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate is 207.13 g/mol.
Where can I buy ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate?
You can request a quote for ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3S)-3-amino-3-(4-methylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.